EINECS 288-979-2
TL;DR: EINECS 288-979-2 (CAS 85958-91-4) is a chemical compound with molecular formula C24H18N3Na3O14S4 and molecular weight 768.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;7-acetamido-4-hydroxy-3-[[6-sulfonato-8-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonate
Also Known As: 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-((6-sulfo-8-((2-(sulfooxy)ethyl)sulfonyl)-2-naphthalenyl)azo)-, sodium salt, 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-(2-(6-sulfo-8-((2-(sulfooxy)ethyl)sulfonyl)-2-naphthalenyl)diazenyl)-, sodium salt (1:?), 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-[[6-sulfo-8-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]azo]-, sodium salt, 2-Naphthalenesulfonic acid, 7-acetylamino-4-hydroxy-3-((6-sulfo-8-((2-(sulfooxy)ethyl)sulfonyl)naphth-2-yl)azo)-, sodium salt, 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy- 3-[[6-sulfo-8-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl ]azo]-, sodium salt
| Molecular Formula | C24H18N3Na3O14S4 |
|---|---|
| Molecular Weight | 768.94 g/mol |
| LogP | -6.8569 |
| Topological Polar Surface Area | 323.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 768.93646 |
| Heavy Atoms | 48 |
| Complexity | 1500.0 |
Chemical Identifiers
| CAS Number | 85958-91-4 |
|---|---|
| SMILES | CC(=O)NC1=CC2=CC(=C(C(=C2C=C1)O)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | VXDUMQYDLRRZIU-UHFFFAOYSA-K |
Product Overview
EINECS 288-979-2 (CAS 85958-91-4), with molecular formula C24H18N3Na3O14S4 and molecular weight 768.94 g/mol. IUPAC: trisodium;7-acetamido-4-hydroxy-3-[[6-sulfonato-8-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonate.
Chemical Property Profile of EINECS 288-979-2
Property Insights of EINECS 288-979-2
The XLogP value of -6.8569 indicates that EINECS 288-979-2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 323.0 Ų indicates high polarity, suggesting EINECS 288-979-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 288-979-2 has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 288-979-2?
The CAS number of EINECS 288-979-2 is 85958-91-4.
What is the molecular formula of EINECS 288-979-2?
The molecular formula of EINECS 288-979-2 is C24H18N3Na3O14S4.
What is the molecular weight of EINECS 288-979-2?
The molecular weight of EINECS 288-979-2 is 768.94 g/mol.
Where can I buy EINECS 288-979-2?
You can request a quote for EINECS 288-979-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 288-979-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 288-979-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.